MCSCF Magnetically Induced Current Density (MICD)

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sanerdor
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Joined: 31 Oct 2020, 09:17
First name(s): Aitor
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Affiliation: DIPC
Country: Spain

MCSCF Magnetically Induced Current Density (MICD)

Post by sanerdor » 31 Oct 2020, 12:44

Dear everyone,

I am studying the excited state (anti)aromaticity and I want to plot the current density of a plane.
I have found out a technique in a paper involving Dalton (https://doi.org/10.1021/ct3011198).

I am unable to get those plots through Dalton.

On the other hand, there are many papers with 2D plots of current densities through CTOCD-DZ.

Does anybody know how to make MCSCF - MICD work to obtain 2D plots? And 2D current plots with CTOCD-DZ?

Thank you in advance,

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